Molecule

ID:36196

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O
Molecular Mass
262.30586
Exact Mass
262.11061308
Charge
0
InChI
InChI=1S/C17H14N2O/c18-14-7-4-13(5-8-14)17(20)9-6-12-2-1-3-16-15(12)10-11-19-16/h1-11,19H,18H2/b9-6+
InChIKey
JINRQSOKLDBKHW-RMKNXTFCSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1cccc2c1cc[nH]2
Isomeric Smiles
C(=C\c1c2c([nH]cc2)ccc1)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
16.316172
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1581175
LogD (pH = 7.4)
3.1601355
Log P
3.1601613
Molar Refractivity
82.6639
Polarizability
31.754936
Polar Surface Area
58.88
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation